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<div class="section" id="fix-ave-histo-command">
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<span id="index-0"></span><h1>fix ave/histo command</h1>
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</div>
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<div class="section" id="fix-ave-histo-weight-command">
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<h1>fix ave/histo/weight command</h1>
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<div class="section" id="syntax">
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<h2>Syntax</h2>
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<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">style</span> <span class="n">Nevery</span> <span class="n">Nrepeat</span> <span class="n">Nfreq</span> <span class="n">lo</span> <span class="n">hi</span> <span class="n">Nbin</span> <span class="n">value1</span> <span class="n">value2</span> <span class="o">...</span> <span class="n">keyword</span> <span class="n">args</span> <span class="o">...</span>
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</pre></div>
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</div>
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<ul class="simple">
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<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
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<li>style = <em>ave/histo</em> or <em>ave/histo/weight</em> = style name of this fix command</li>
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<li>Nevery = use input values every this many timesteps</li>
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<li>Nrepeat = # of times to use input values for calculating histogram</li>
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<li>Nfreq = calculate histogram every this many timesteps</li>
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<li>lo,hi = lo/hi bounds within which to histogram</li>
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<li>Nbin = # of histogram bins</li>
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<li>one or more input values can be listed</li>
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<li>value = x, y, z, vx, vy, vz, fx, fy, fz, c_ID, c_ID[N], f_ID, f_ID[N], v_name</li>
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</ul>
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<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">x</span><span class="p">,</span><span class="n">y</span><span class="p">,</span><span class="n">z</span><span class="p">,</span><span class="n">vx</span><span class="p">,</span><span class="n">vy</span><span class="p">,</span><span class="n">vz</span><span class="p">,</span><span class="n">fx</span><span class="p">,</span><span class="n">fy</span><span class="p">,</span><span class="n">fz</span> <span class="o">=</span> <span class="n">atom</span> <span class="n">attribute</span> <span class="p">(</span><span class="n">position</span><span class="p">,</span> <span class="n">velocity</span><span class="p">,</span> <span class="n">force</span> <span class="n">component</span><span class="p">)</span>
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<span class="n">c_ID</span> <span class="o">=</span> <span class="n">scalar</span> <span class="ow">or</span> <span class="n">vector</span> <span class="n">calculated</span> <span class="n">by</span> <span class="n">a</span> <span class="n">compute</span> <span class="k">with</span> <span class="n">ID</span>
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<span class="n">c_ID</span><span class="p">[</span><span class="n">I</span><span class="p">]</span> <span class="o">=</span> <span class="n">Ith</span> <span class="n">component</span> <span class="n">of</span> <span class="n">vector</span> <span class="ow">or</span> <span class="n">Ith</span> <span class="n">column</span> <span class="n">of</span> <span class="n">array</span> <span class="n">calculated</span> <span class="n">by</span> <span class="n">a</span> <span class="n">compute</span> <span class="k">with</span> <span class="n">ID</span>
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<span class="n">f_ID</span> <span class="o">=</span> <span class="n">scalar</span> <span class="ow">or</span> <span class="n">vector</span> <span class="n">calculated</span> <span class="n">by</span> <span class="n">a</span> <span class="n">fix</span> <span class="k">with</span> <span class="n">ID</span>
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<span class="n">f_ID</span><span class="p">[</span><span class="n">I</span><span class="p">]</span> <span class="o">=</span> <span class="n">Ith</span> <span class="n">component</span> <span class="n">of</span> <span class="n">vector</span> <span class="ow">or</span> <span class="n">Ith</span> <span class="n">column</span> <span class="n">of</span> <span class="n">array</span> <span class="n">calculated</span> <span class="n">by</span> <span class="n">a</span> <span class="n">fix</span> <span class="k">with</span> <span class="n">ID</span>
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<span class="n">v_name</span> <span class="o">=</span> <span class="n">value</span><span class="p">(</span><span class="n">s</span><span class="p">)</span> <span class="n">calculated</span> <span class="n">by</span> <span class="n">an</span> <span class="n">equal</span><span class="o">-</span><span class="n">style</span> <span class="ow">or</span> <span class="n">vector</span><span class="o">-</span><span class="n">style</span> <span class="ow">or</span> <span class="n">atom</span><span class="o">-</span><span class="n">style</span> <span class="n">variable</span> <span class="k">with</span> <span class="n">name</span>
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<span class="n">v_name</span><span class="p">[</span><span class="n">I</span><span class="p">]</span> <span class="o">=</span> <span class="n">value</span> <span class="n">calculated</span> <span class="n">by</span> <span class="n">a</span> <span class="n">vector</span><span class="o">-</span><span class="n">style</span> <span class="n">variable</span> <span class="k">with</span> <span class="n">name</span>
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</pre></div>
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</div>
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<ul class="simple">
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<li>zero or more keyword/arg pairs may be appended</li>
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<li>keyword = <em>mode</em> or <em>file</em> or <em>ave</em> or <em>start</em> or <em>beyond</em> or <em>overwrite</em> or <em>title1</em> or <em>title2</em> or <em>title3</em></li>
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</ul>
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<pre class="literal-block">
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<em>mode</em> arg = <em>scalar</em> or <em>vector</em>
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scalar = all input values are scalars
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vector = all input values are vectors
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<em>file</em> arg = filename
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filename = name of file to output histogram(s) to
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<em>ave</em> args = <em>one</em> or <em>running</em> or <em>window</em>
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one = output a new average value every Nfreq steps
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running = output cumulative average of all previous Nfreq steps
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window M = output average of M most recent Nfreq steps
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<em>start</em> args = Nstart
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Nstart = start averaging on this timestep
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<em>beyond</em> arg = <em>ignore</em> or <em>end</em> or <em>extra</em>
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ignore = ignore values outside histogram lo/hi bounds
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end = count values outside histogram lo/hi bounds in end bins
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extra = create 2 extra bins for value outside histogram lo/hi bounds
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<em>overwrite</em> arg = none = overwrite output file with only latest output
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<em>title1</em> arg = string
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string = text to print as 1st line of output file
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<em>title2</em> arg = string
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string = text to print as 2nd line of output file
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<em>title3</em> arg = string
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string = text to print as 3rd line of output file, only for vector mode
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</pre>
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</div>
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<div class="section" id="examples">
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<h2>Examples</h2>
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<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix</span> <span class="mi">1</span> <span class="nb">all</span> <span class="n">ave</span><span class="o">/</span><span class="n">histo</span> <span class="mi">100</span> <span class="mi">5</span> <span class="mi">1000</span> <span class="mf">0.5</span> <span class="mf">1.5</span> <span class="mi">50</span> <span class="n">c_myTemp</span> <span class="n">file</span> <span class="n">temp</span><span class="o">.</span><span class="n">histo</span> <span class="n">ave</span> <span class="n">running</span>
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<span class="n">fix</span> <span class="mi">1</span> <span class="nb">all</span> <span class="n">ave</span><span class="o">/</span><span class="n">histo</span> <span class="mi">100</span> <span class="mi">5</span> <span class="mi">1000</span> <span class="o">-</span><span class="mi">5</span> <span class="mi">5</span> <span class="mi">100</span> <span class="n">c_thermo_press</span><span class="p">[</span><span class="mi">2</span><span class="p">]</span> <span class="n">c_thermo_press</span><span class="p">[</span><span class="mi">3</span><span class="p">]</span> <span class="n">title1</span> <span class="s2">"My output values"</span>
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<span class="n">fix</span> <span class="mi">1</span> <span class="nb">all</span> <span class="n">ave</span><span class="o">/</span><span class="n">histo</span> <span class="mi">1</span> <span class="mi">100</span> <span class="mi">1000</span> <span class="o">-</span><span class="mf">2.0</span> <span class="mf">2.0</span> <span class="mi">18</span> <span class="n">vx</span> <span class="n">vy</span> <span class="n">vz</span> <span class="n">mode</span> <span class="n">vector</span> <span class="n">ave</span> <span class="n">running</span> <span class="n">beyond</span> <span class="n">extra</span>
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<span class="n">fix</span> <span class="mi">1</span> <span class="nb">all</span> <span class="n">ave</span><span class="o">/</span><span class="n">histo</span><span class="o">/</span><span class="n">weight</span> <span class="mi">1</span> <span class="mi">1</span> <span class="mi">1</span> <span class="mi">10</span> <span class="mi">100</span> <span class="mi">2000</span> <span class="n">c_XRD</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span> <span class="n">c_XRD</span><span class="p">[</span><span class="mi">2</span><span class="p">]</span>
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</pre></div>
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</div>
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</div>
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<div class="section" id="description">
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<h2>Description</h2>
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<p>Use one or more values as inputs every few timesteps, histogram them,
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and average the histogram over longer timescales. The resulting
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histogram can be used by other <a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">output commands</span></a>, and can also be written to a
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file. The fix ave/histo/weight command has identical syntax to fix
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ave/histo, except that exactly two values must be specified. See
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details below.</p>
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<p>The group specified with this command is ignored for global and local
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input values. For per-atom input values, only atoms in the group
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contribute to the histogram. Note that regardless of the specified
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group, specified values may represent calculations performed by
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computes and fixes which store their own “group” definition.</p>
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<p>A histogram is simply a count of the number of values that fall within
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a histogram bin. <em>Nbins</em> are defined, with even spacing between <em>lo</em>
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and <em>hi</em>. Values that fall outside the lo/hi bounds can be treated in
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different ways; see the discussion of the <em>beyond</em> keyword below.</p>
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<p>Each input value can be an atom attribute (position, velocity, force
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component) or can be the result of a <a class="reference internal" href="compute.html"><span class="doc">compute</span></a> or
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<a class="reference internal" href="fix.html"><span class="doc">fix</span></a> or the evaluation of an equal-style or vector-style or
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atom-style <a class="reference internal" href="variable.html"><span class="doc">variable</span></a>. The set of input values can be
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either all global, all per-atom, or all local quantities. Inputs of
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different kinds (e.g. global and per-atom) cannot be mixed. Atom
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attributes are per-atom vector values. See the doc page for
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individual “compute” and “fix” commands to see what kinds of
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quantities they generate.</p>
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<p>The input values must either be all scalars or all vectors (or
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arrays), depending on the setting of the <em>mode</em> keyword.</p>
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<p>Note that the output of this command is a single histogram for all
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input values combined together, not one histogram per input value.
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See below for details on the format of the output of this fix.</p>
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<p>If <em>mode</em> = vector, then the input values may either be vectors or
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arrays. If a global array is listed, then it is the same as if the
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individual columns of the array had been listed one by one.
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E.g. these 2 fix ave/histo commands are equivalent, since the <a class="reference internal" href="compute_com_chunk.html"><span class="doc">compute com/chunk</span></a> command creates a global array
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with 3 columns:</p>
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<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">compute</span> <span class="n">myCOM</span> <span class="nb">all</span> <span class="n">com</span><span class="o">/</span><span class="n">chunk</span>
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<span class="n">fix</span> <span class="mi">1</span> <span class="nb">all</span> <span class="n">ave</span><span class="o">/</span><span class="n">histo</span> <span class="mi">100</span> <span class="mi">1</span> <span class="mi">100</span> <span class="n">c_myCOM</span> <span class="n">file</span> <span class="n">tmp1</span><span class="o">.</span><span class="n">com</span> <span class="n">mode</span> <span class="n">vector</span>
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<span class="n">fix</span> <span class="mi">2</span> <span class="nb">all</span> <span class="n">ave</span><span class="o">/</span><span class="n">histo</span> <span class="mi">100</span> <span class="mi">1</span> <span class="mi">100</span> <span class="n">c_myCOM</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span> <span class="n">c_myCOM</span><span class="p">[</span><span class="mi">2</span><span class="p">]</span> <span class="n">c_myCOM</span><span class="p">[</span><span class="mi">3</span><span class="p">]</span> <span class="n">file</span> <span class="n">tmp2</span><span class="o">.</span><span class="n">com</span> <span class="n">mode</span> <span class="n">vector</span>
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</pre></div>
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</div>
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<p>If the fix ave/histo/weight command is used, exactly two values must
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be specified. If the values are vectors, they must be the same
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length. The first value (a scalar or vector) is what is histogrammed
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into bins, in the same manner the fix ave/histo command operates. The
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second value (a scalar or vector) is used as a “weight”. This means
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that instead of each value tallying a “1” to its bin, the
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corresponding weight is tallied. E.g. the Nth entry in the first
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vector tallies the Nth entry (weight) in the second vector.</p>
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<hr class="docutils" />
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<p>The <em>Nevery</em>, <em>Nrepeat</em>, and <em>Nfreq</em> arguments specify on what
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timesteps the input values will be used in order to contribute to the
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histogram. The final histogram is generated on timesteps that are
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multiple of <em>Nfreq</em>. It is averaged over <em>Nrepeat</em> histograms,
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computed in the preceding portion of the simulation every <em>Nevery</em>
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timesteps. <em>Nfreq</em> must be a multiple of <em>Nevery</em> and <em>Nevery</em> must
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be non-zero even if <em>Nrepeat</em> is 1. Also, the timesteps
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contributing to the histogram value cannot overlap,
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i.e. Nrepeat*Nevery can not exceed Nfreq.</p>
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<p>For example, if Nevery=2, Nrepeat=6, and Nfreq=100, then input values
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on timesteps 90,92,94,96,98,100 will be used to compute the final
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histogram on timestep 100. Similarly for timesteps
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190,192,194,196,198,200 on timestep 200, etc. If Nrepeat=1 and Nfreq
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= 100, then no time averaging of the histogram is done; a histogram is
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simply generated on timesteps 100,200,etc.</p>
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<hr class="docutils" />
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<p>The atom attribute values (x,y,z,vx,vy,vz,fx,fy,fz) are
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self-explanatory. Note that other atom attributes can be used as
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inputs to this fix by using the <a class="reference internal" href="compute_property_atom.html"><span class="doc">compute property/atom</span></a> command and then specifying
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an input value from that compute.</p>
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<p>If a value begins with “<a href="#id1"><span class="problematic" id="id2">c_</span></a>”, a compute ID must follow which has been
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previously defined in the input script. If <em>mode</em> = scalar, then if
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no bracketed term is appended, the global scalar calculated by the
|
|
compute is used. If a bracketed term is appended, the Ith element of
|
|
the global vector calculated by the compute is used. If <em>mode</em> =
|
|
vector, then if no bracketed term is appended, the global or per-atom
|
|
or local vector calculated by the compute is used. Or if the compute
|
|
calculates an array, all of the columns of the array are used as if
|
|
they had been specified as individual vectors (see description above).
|
|
If a bracketed term is appended, the Ith column of the global or
|
|
per-atom or local array calculated by the compute is used.</p>
|
|
<p>Note that there is a <a class="reference internal" href="compute_reduce.html"><span class="doc">compute reduce</span></a> command
|
|
which can sum per-atom quantities into a global scalar or vector which
|
|
can thus be accessed by fix ave/histo. Or it can be a compute defined
|
|
not in your input script, but by <a class="reference internal" href="thermo_style.html"><span class="doc">thermodynamic output</span></a> or other fixes such as <a class="reference internal" href="fix_nh.html"><span class="doc">fix nvt</span></a> or <a class="reference internal" href="fix_temp_rescale.html"><span class="doc">fix temp/rescale</span></a>. See
|
|
the doc pages for these commands which give the IDs of these computes.
|
|
Users can also write code for their own compute styles and <a class="reference internal" href="Section_modify.html"><span class="doc">add them to LAMMPS</span></a>.</p>
|
|
<p>If a value begins with “<a href="#id3"><span class="problematic" id="id4">f_</span></a>”, a fix ID must follow which has been
|
|
previously defined in the input script. If <em>mode</em> = scalar, then if
|
|
no bracketed term is appended, the global scalar calculated by the fix
|
|
is used. If a bracketed term is appended, the Ith element of the
|
|
global vector calculated by the fix is used. If <em>mode</em> = vector, then
|
|
if no bracketed term is appended, the global or per-atom or local
|
|
vector calculated by the fix is used. Or if the fix calculates an
|
|
array, all of the columns of the array are used as if they had been
|
|
specified as individual vectors (see description above). If a
|
|
bracketed term is appended, the Ith column of the global or per-atom
|
|
or local array calculated by the fix is used.</p>
|
|
<p>Note that some fixes only produce their values on certain timesteps,
|
|
which must be compatible with <em>Nevery</em>, else an error will result.
|
|
Users can also write code for their own fix styles and <a class="reference internal" href="Section_modify.html"><span class="doc">add them to LAMMPS</span></a>.</p>
|
|
<p>If a value begins with “<a href="#id5"><span class="problematic" id="id6">v_</span></a>”, a variable name must follow which has
|
|
been previously defined in the input script. If <em>mode</em> = scalar, then
|
|
only equal-style or vector-style variables can be used, which both
|
|
produce global values. In this mode, a vector-style variable requires
|
|
a bracketed term to specify the Ith element of the vector calculated
|
|
by the variable. If <em>mode</em> = vector, then only vector-style or
|
|
atom-style variables can be used, which produce a global or per-atom
|
|
vector respectively. The vector-style variable must be used without a
|
|
bracketed term. See the <a class="reference internal" href="variable.html"><span class="doc">variable</span></a> command for details.</p>
|
|
<p>Note that variables of style <em>equal</em>, <em>vector</em>, and <em>atom</em> define a
|
|
formula which can reference individual atom properties or
|
|
thermodynamic keywords, or they can invoke other computes, fixes, or
|
|
variables when they are evaluated, so this is a very general means of
|
|
specifying quantities to histogram.</p>
|
|
<hr class="docutils" />
|
|
<p>Additional optional keywords also affect the operation of this fix.</p>
|
|
<p>If the <em>mode</em> keyword is set to <em>scalar</em>, then all input values must
|
|
be global scalars, or elements of global vectors. If the <em>mode</em>
|
|
keyword is set to <em>vector</em>, then all input values must be global or
|
|
per-atom or local vectors, or columns of global or per-atom or local
|
|
arrays.</p>
|
|
<p>The <em>beyond</em> keyword determines how input values that fall outside the
|
|
<em>lo</em> to <em>hi</em> bounds are treated. Values such that <em>lo</em> <= value <=
|
|
<em>hi</em> are assigned to one bin. Values on a bin boundary are assigned
|
|
to the lower of the 2 bins. If <em>beyond</em> is set to <em>ignore</em> then
|
|
values < <em>lo</em> and values > <em>hi</em> are ignored, i.e. they are not binned.
|
|
If <em>beyond</em> is set to <em>end</em> then values < <em>lo</em> are counted in the
|
|
first bin and values > <em>hi</em> are counted in the last bin. If <em>beyond</em>
|
|
is set to <em>extend</em> then two extra bins are created, so that there are
|
|
Nbins+2 total bins. Values < <em>lo</em> are counted in the first bin and
|
|
values > <em>hi</em> are counted in the last bin (Nbins+1). Values between
|
|
<em>lo</em> and <em>hi</em> (inclusive) are counted in bins 2 thru Nbins+1. The
|
|
“coordinate” stored and printed for these two extra bins is <em>lo</em> and
|
|
<em>hi</em>.</p>
|
|
<p>The <em>ave</em> keyword determines how the histogram produced every <em>Nfreq</em>
|
|
steps are averaged with histograms produced on previous steps that
|
|
were multiples of <em>Nfreq</em>, before they are accessed by another output
|
|
command or written to a file.</p>
|
|
<p>If the <em>ave</em> setting is <em>one</em>, then the histograms produced on
|
|
timesteps that are multiples of <em>Nfreq</em> are independent of each other;
|
|
they are output as-is without further averaging.</p>
|
|
<p>If the <em>ave</em> setting is <em>running</em>, then the histograms produced on
|
|
timesteps that are multiples of <em>Nfreq</em> are summed and averaged in a
|
|
cumulative sense before being output. Each bin value in the histogram
|
|
is thus the average of the bin value produced on that timestep with
|
|
all preceding values for the same bin. This running average begins
|
|
when the fix is defined; it can only be restarted by deleting the fix
|
|
via the <a class="reference internal" href="unfix.html"><span class="doc">unfix</span></a> command, or by re-defining the fix by
|
|
re-specifying it.</p>
|
|
<p>If the <em>ave</em> setting is <em>window</em>, then the histograms produced on
|
|
timesteps that are multiples of <em>Nfreq</em> are summed within a moving
|
|
“window” of time, so that the last M histograms are used to produce
|
|
the output. E.g. if M = 3 and Nfreq = 1000, then the output on step
|
|
10000 will be the combined histogram of the individual histograms on
|
|
steps 8000,9000,10000. Outputs on early steps will be sums over less
|
|
than M histograms if they are not available.</p>
|
|
<p>The <em>start</em> keyword specifies what timestep histogramming will begin
|
|
on. The default is step 0. Often input values can be 0.0 at time 0,
|
|
so setting <em>start</em> to a larger value can avoid including a 0.0 in
|
|
a running or windowed histogram.</p>
|
|
<p>The <em>file</em> keyword allows a filename to be specified. Every <em>Nfreq</em>
|
|
steps, one histogram is written to the file. This includes a leading
|
|
line that contains the timestep, number of bins, the total count of
|
|
values contributing to the histogram, the count of values that were
|
|
not histogrammed (see the <em>beyond</em> keyword), the minimum value
|
|
encountered, and the maximum value encountered. The min/max values
|
|
include values that were not histogrammed. Following the leading
|
|
line, one line per bin is written into the file. Each line contains
|
|
the bin #, the coordinate for the center of the bin (between <em>lo</em> and
|
|
<em>hi</em>), the count of values in the bin, and the normalized count. The
|
|
normalized count is the bin count divided by the total count (not
|
|
including values not histogrammed), so that the normalized values sum
|
|
to 1.0 across all bins.</p>
|
|
<p>The <em>overwrite</em> keyword will continuously overwrite the output file
|
|
with the latest output, so that it only contains one timestep worth of
|
|
output. This option can only be used with the <em>ave running</em> setting.</p>
|
|
<p>The <em>title1</em> and <em>title2</em> and <em>title3</em> keywords allow specification of
|
|
the strings that will be printed as the first 3 lines of the output
|
|
file, assuming the <em>file</em> keyword was used. LAMMPS uses default
|
|
values for each of these, so they do not need to be specified.</p>
|
|
<p>By default, these header lines are as follows:</p>
|
|
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="c1"># Histogram for fix ID</span>
|
|
<span class="c1"># TimeStep Number-of-bins Total-counts Missing-counts Min-value Max-value</span>
|
|
<span class="c1"># Bin Coord Count Count/Total</span>
|
|
</pre></div>
|
|
</div>
|
|
<p>In the first line, ID is replaced with the fix-ID. The second line
|
|
describes the six values that are printed at the first of each section
|
|
of output. The third describes the 4 values printed for each bin in
|
|
the histogram.</p>
|
|
</div>
|
|
<hr class="docutils" />
|
|
<div class="section" id="restart-fix-modify-output-run-start-stop-minimize-info">
|
|
<h2>Restart, fix_modify, output, run start/stop, minimize info</h2>
|
|
<p>No information about this fix is written to <a class="reference internal" href="restart.html"><span class="doc">binary restart files</span></a>. None of the <a class="reference internal" href="fix_modify.html"><span class="doc">fix_modify</span></a> options
|
|
are relevant to this fix.</p>
|
|
<p>This fix produces a global vector and global array which can be
|
|
accessed by various <a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">output commands</span></a>.
|
|
The values can only be accessed on timesteps that are multiples of
|
|
<em>Nfreq</em> since that is when a histogram is generated. The global
|
|
vector has 4 values:</p>
|
|
<ul class="simple">
|
|
<li>1 = total counts in the histogram</li>
|
|
<li>2 = values that were not histogrammed (see <em>beyond</em> keyword)</li>
|
|
<li>3 = min value of all input values, including ones not histogrammed</li>
|
|
<li>4 = max value of all input values, including ones not histogrammed</li>
|
|
</ul>
|
|
<p>The global array has # of rows = Nbins and # of columns = 3. The
|
|
first column has the bin coordinate, the 2nd column has the count of
|
|
values in that histogram bin, and the 3rd column has the bin count
|
|
divided by the total count (not including missing counts), so that the
|
|
values in the 3rd column sum to 1.0.</p>
|
|
<p>The vector and array values calculated by this fix are all treated as
|
|
intensive. If this is not the case, e.g. due to histogramming
|
|
per-atom input values, then you will need to account for that when
|
|
interpreting the values produced by this fix.</p>
|
|
<p>No parameter of this fix can be used with the <em>start/stop</em> keywords of
|
|
the <a class="reference internal" href="run.html"><span class="doc">run</span></a> command. This fix is not invoked during <a class="reference internal" href="minimize.html"><span class="doc">energy minimization</span></a>.</p>
|
|
</div>
|
|
<div class="section" id="restrictions">
|
|
<h2>Restrictions</h2>
|
|
<blockquote>
|
|
<div>none</div></blockquote>
|
|
</div>
|
|
<div class="section" id="related-commands">
|
|
<h2>Related commands</h2>
|
|
<p><a class="reference internal" href="compute.html"><span class="doc">compute</span></a>, <a class="reference internal" href="fix_ave_atom.html"><span class="doc">fix ave/atom</span></a>, <a class="reference internal" href="fix_ave_spatial.html"><span class="doc">fix ave/spatial</span></a>, <a class="reference internal" href="fix_ave_time.html"><span class="doc">fix ave/time</span></a>,
|
|
<a class="reference internal" href="variable.html"><span class="doc">variable</span></a>, <a class="reference internal" href="fix_ave_correlate.html"><span class="doc">fix ave/correlate</span></a>,</p>
|
|
<p><strong>Default:</strong> none</p>
|
|
<p>The option defaults are mode = scalar, ave = one, start = 0, no file
|
|
output, beyond = ignore, and title 1,2,3 = strings as described above.</p>
|
|
</div>
|
|
</div>
|
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</div>
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</div>
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<hr/>
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<p>
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</p>
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